2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine

C12H19N5 — CID 79821367

IUPAC2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)NCCCc1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C12H19N5/c1-8(2)14-7-3-4-11-15-9-5-6-10(13)16-12(9)17-11/h5-6,8,14H,3-4,7H2,1-2H3,(H3,13,15,16,17)
InChIKeyAJNGSHLDKOLBMT-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.47
Rot. Bonds5

About 2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine

2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821367) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821367
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)NCCCc1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C12H19N5/c1-8(2)14-7-3-4-11-15-9-5-6-10(13)16-12(9)17-11/h5-6,8,14H,3-4,7H2,1-2H3,(H3,13,15,16,17)
InChIKeyAJNGSHLDKOLBMT-UHFFFAOYSA-N
XLogP1.47
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine
CID 81137710
2-(5-aminopentyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820779
2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821394
2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821222
2-(methoxymethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821303
2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol
CID 81431647
3-(4-fluoro-1H-benzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837837
2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821236
2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 81072327
2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821623
2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821064
2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821707

Frequently Asked Questions

What is the IUPAC name of 2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821367) is 2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine is CC(C)NCCCc1nc2nc(N)ccc2[nH]1.
What is the InChIKey of 2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is AJNGSHLDKOLBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8(2)14-7-3-4-11-15-9-5-6-10(13)16-12(9)17-11/h5-6,8,14H,3-4,7H2,1-2H3,(H3,13,15,16,17).
What are the key properties of 2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine?
2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 233.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).